thiophen-2-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: thiophen-2-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methanone Openeye Name: 2-thienyl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methanone CAS Name: thiophen-2-yl-[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: thiophen-2-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methanone Traditional Name: 2-thienyl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methanone Formula: C15H15F3N4OS MolecularWeight: 356.36601

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C15H15F3N4OS/c16-15(17,18)12-4-5-19-14(20-12)22-7-2-6-21(8-9-22)13(23)11-3-1-10-24-11/h1,3-5,10H,2,6-9H2